N-propyl-3-(trifluoromethyl)thiophen-2-amine

C8H10F3NS — CID 173055782

IUPACN-propyl-3-(trifluoromethyl)thiophen-2-amine
SMILESCCCNc1sccc1C(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-2-4-12-7-6(3-5-13-7)8(9,10)11/h3,5,12H,2,4H2,1H3
InChIKeyIKOVUJYKAWPWIZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.59
Rot. Bonds3

About N-propyl-3-(trifluoromethyl)thiophen-2-amine

N-propyl-3-(trifluoromethyl)thiophen-2-amine (PubChem CID 173055782) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is N-propyl-3-(trifluoromethyl)thiophen-2-amine.

Molecular Properties

Compound NameN-propyl-3-(trifluoromethyl)thiophen-2-amine
PubChem CID173055782
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC NameN-propyl-3-(trifluoromethyl)thiophen-2-amine
SMILESCCCNc1sccc1C(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-2-4-12-7-6(3-5-13-7)8(9,10)11/h3,5,12H,2,4H2,1H3
InChIKeyIKOVUJYKAWPWIZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(trifluoromethyl)thiophen-2-amine?
The IUPAC name of N-propyl-3-(trifluoromethyl)thiophen-2-amine (CID 173055782) is N-propyl-3-(trifluoromethyl)thiophen-2-amine.
What is the SMILES notation for N-propyl-3-(trifluoromethyl)thiophen-2-amine?
The canonical SMILES for N-propyl-3-(trifluoromethyl)thiophen-2-amine is CCCNc1sccc1C(F)(F)F.
What is the InChIKey of N-propyl-3-(trifluoromethyl)thiophen-2-amine?
The InChIKey is IKOVUJYKAWPWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c1-2-4-12-7-6(3-5-13-7)8(9,10)11/h3,5,12H,2,4H2,1H3.
What are the key properties of N-propyl-3-(trifluoromethyl)thiophen-2-amine?
N-propyl-3-(trifluoromethyl)thiophen-2-amine has a molecular weight of 209.24 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(trifluoromethyl)thiophen-2-amine is sourced from PubChem (CID 173055782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).